Task 38684167

Name test_73-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1893_0
Workunit 31625688
Created 27 Oct 2026, 14:59:56 UTC
Sent 27 Oct 2026, 14:59:59 UTC
Report deadline 1 Nov 2026, 14:59:59 UTC
Received 27 Oct 2026, 15:17:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 16 min 39 sec
CPU time 14 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.84 MB
Peak swap size 11.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:01:36 (10828): wrapper (7.9.26016): starting
08:01:36 (10828): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
08:01:38 (10828): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:01:38 (10828): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\16\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\16\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
08:17:27 (10828): C:/Windows/system32/cmd.exe exited; CPU time 893.000000
08:17:27 (10828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 22317323 bytes.
Dumping objects ->
{3835512} normal block at 0x000001F07C6E4EF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000001F07C6E4DA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001F07C6E4E10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x000001F07C6E4FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001F07C6E4F60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x000001F07E48B030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001F07E49E8A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835423} normal block at 0x000001F07C6DEF20, 8 bytes long.
 Data: <  5~&#240;   > 00 00 35 7E F0 01 00 00 
{3834678} normal block at 0x000001F07E49F030, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001F07C6DF920, 8 bytes long.
 Data: <&#160;&#218;l|&#240;   > A0 DA 6C 7C F0 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F07C6DE180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F07C6D6B80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F07C6E6680, 16 bytes long.
 Data: < ln|&#240;           > 98 6C 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F07C6E5D20, 16 bytes long.
 Data: <pln|&#240;           > 70 6C 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F07C6E03E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F07C6E6770, 16 bytes long.
 Data: <Hln|&#240;           > 48 6C 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F07C6E6900, 16 bytes long.
 Data: < ln|&#240;           > 20 6C 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F07C6E6310, 16 bytes long.
 Data: <&#248;kn|&#240;           > F8 6B 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F07C6E6270, 16 bytes long.
 Data: <&#208;kn|&#240;           > D0 6B 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F07C6E5040, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F07C6E5CD0, 16 bytes long.
 Data: <&#184;&#241;l|&#240;           > B8 F1 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F07C6E0020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F07C6E5C80, 16 bytes long.
 Data: < &#241;l|&#240;           > 90 F1 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F07C6E6450, 16 bytes long.
 Data: <h&#241;l|&#240;           > 68 F1 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F07C6E62C0, 16 bytes long.
 Data: <@&#241;l|&#240;           > 40 F1 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F07C6E6220, 16 bytes long.
 Data: < &#241;l|&#240;           > 18 F1 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F07C6E65E0, 16 bytes long.
 Data: <&#240;&#240;l|&#240;           > F0 F0 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F07C6E59B0, 16 bytes long.
 Data: <&#200;&#240;l|&#240;           > C8 F0 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F07C6E09E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F07C6E5C30, 16 bytes long.
 Data: <&#160;&#240;l|&#240;           > A0 F0 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F07C6CF0A0, 320 bytes long.
 Data: <0\n|&#240;   &#224;	n|&#240;   > 30 5C 6E 7C F0 01 00 00 E0 09 6E 7C F0 01 00 00 
{275} normal block at 0x000001F07C6E5E60, 16 bytes long.
 Data: <&#176;kn|&#240;           > B0 6B 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F07C6E5BE0, 16 bytes long.
 Data: < kn|&#240;           > 88 6B 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F07C6E0740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F07C6E5FF0, 16 bytes long.
 Data: <`kn|&#240;           > 60 6B 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F07C6E0680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F07C6E5A00, 16 bytes long.
 Data: <&#168;jn|&#240;           > A8 6A 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F07C6E61D0, 16 bytes long.
 Data: < jn|&#240;           > 80 6A 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F07C6E68B0, 16 bytes long.
 Data: <Xjn|&#240;           > 58 6A 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F07C6E5B40, 16 bytes long.
 Data: <0jn|&#240;           > 30 6A 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F07C6E60E0, 16 bytes long.
 Data: < jn|&#240;           > 08 6A 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F07C6E5DC0, 16 bytes long.
 Data: <&#224;in|&#240;           > E0 69 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F07C6E5FA0, 16 bytes long.
 Data: <pRn|&#240;           > 70 52 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F07C6E5270, 40 bytes long.
 Data: <&#160;_n|&#240;   0&#176;H~&#240;   > A0 5F 6E 7C F0 01 00 00 30 B0 48 7E F0 01 00 00 
{261} normal block at 0x000001F07C6E6400, 16 bytes long.
 Data: <&#192;in|&#240;           > C0 69 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F07C6E5F50, 16 bytes long.
 Data: < in|&#240;           > 98 69 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F07C6E05C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F07C6E64F0, 16 bytes long.
 Data: <pin|&#240;           > 70 69 6E 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F07C6E6970, 992 bytes long.
 Data: <&#240;dn|&#240;   &#192; n|&#240;   > F0 64 6E 7C F0 01 00 00 C0 05 6E 7C F0 01 00 00 
{93} normal block at 0x000001F07C6E0080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F07C6DEFC0, 16 bytes long.
 Data: <@&#196;l|&#240;           > 40 C4 6C 7C F0 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F07C6CC440, 40 bytes long.
 Data: <&#192;&#239;m|&#240;     n|&#240;   > C0 EF 6D 7C F0 01 00 00 80 00 6E 7C F0 01 00 00 
{70} normal block at 0x000001F07C6DF010, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F07C6DF8D0, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F07C6DF290, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F07C6DF470, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F07C6DF880, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F07C6DFBF0, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F07C6DF380, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F07C6DF1F0, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F07C6DF1A0, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F07C6DF150, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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